4-amino-N-tert-butyl-3-ethyl-5-oxo-1,2,4-triazole-1-carboxamide;methane

C10H21N5O2 — CID 160732575

IUPAC4-amino-N-tert-butyl-3-ethyl-5-oxo-1,2,4-triazole-1-carboxamide;methane
SMILESC.CCc1nn(C(=O)NC(C)(C)C)c(=O)n1N
InChIInChI=1S/C9H17N5O2.CH4/c1-5-6-12-14(8(16)13(6)10)7(15)11-9(2,3)4;/h5,10H2,1-4H3,(H,11,15);1H4
InChIKeyRUNQAAJNSQEWPO-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.31
Rot. Bonds1

About 4-amino-N-tert-butyl-3-ethyl-5-oxo-1,2,4-triazole-1-carboxamide;methane

4-amino-N-tert-butyl-3-ethyl-5-oxo-1,2,4-triazole-1-carboxamide;methane (PubChem CID 160732575) has the molecular formula C10H21N5O2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-ethyl-5-oxo-1,2,4-triazole-1-carboxamide;methane.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-ethyl-5-oxo-1,2,4-triazole-1-carboxamide;methane
PubChem CID160732575
Molecular FormulaC10H21N5O2
Molecular Weight243.31 g/mol
Exact Mass243.17
IUPAC Name4-amino-N-tert-butyl-3-ethyl-5-oxo-1,2,4-triazole-1-carboxamide;methane
SMILESC.CCc1nn(C(=O)NC(C)(C)C)c(=O)n1N
InChIInChI=1S/C9H17N5O2.CH4/c1-5-6-12-14(8(16)13(6)10)7(15)11-9(2,3)4;/h5,10H2,1-4H3,(H,11,15);1H4
InChIKeyRUNQAAJNSQEWPO-UHFFFAOYSA-N
XLogP0.31
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-ethyl-5-oxo-1,2,4-triazole-1-carboxamide;methane?
The IUPAC name of 4-amino-N-tert-butyl-3-ethyl-5-oxo-1,2,4-triazole-1-carboxamide;methane (CID 160732575) is 4-amino-N-tert-butyl-3-ethyl-5-oxo-1,2,4-triazole-1-carboxamide;methane.
What is the SMILES notation for 4-amino-N-tert-butyl-3-ethyl-5-oxo-1,2,4-triazole-1-carboxamide;methane?
The canonical SMILES for 4-amino-N-tert-butyl-3-ethyl-5-oxo-1,2,4-triazole-1-carboxamide;methane is C.CCc1nn(C(=O)NC(C)(C)C)c(=O)n1N.
What is the InChIKey of 4-amino-N-tert-butyl-3-ethyl-5-oxo-1,2,4-triazole-1-carboxamide;methane?
The InChIKey is RUNQAAJNSQEWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2.CH4/c1-5-6-12-14(8(16)13(6)10)7(15)11-9(2,3)4;/h5,10H2,1-4H3,(H,11,15);1H4.
What are the key properties of 4-amino-N-tert-butyl-3-ethyl-5-oxo-1,2,4-triazole-1-carboxamide;methane?
4-amino-N-tert-butyl-3-ethyl-5-oxo-1,2,4-triazole-1-carboxamide;methane has a molecular weight of 243.31 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3-ethyl-5-oxo-1,2,4-triazole-1-carboxamide;methane is sourced from PubChem (CID 160732575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).